6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine

C14H19N7 — CID 124957141

IUPAC6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2nccc([C@H]3CCCNC3)n2)ncn1
InChIInChI=1S/C14H19N7/c1-15-12-7-13(19-9-18-12)21-14-17-6-4-11(20-14)10-3-2-5-16-8-10/h4,6-7,9-10,16H,2-3,5,8H2,1H3,(H2,15,17,18,19,20,21)/t10-/m0/s1
InChIKeyFWSRUQQHRRBTPN-JTQLQIEISA-N
MW285.36 g/mol
LogP1.52
Rot. Bonds4

About 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine

6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine (PubChem CID 124957141) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
PubChem CID124957141
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2nccc([C@H]3CCCNC3)n2)ncn1
InChIInChI=1S/C14H19N7/c1-15-12-7-13(19-9-18-12)21-14-17-6-4-11(20-14)10-3-2-5-16-8-10/h4,6-7,9-10,16H,2-3,5,8H2,1H3,(H2,15,17,18,19,20,21)/t10-/m0/s1
InChIKeyFWSRUQQHRRBTPN-JTQLQIEISA-N
XLogP1.52
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-methyl-4-N-[4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95836671
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
N-[6-[(3R)-piperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 125009516
6-N-methyl-4-N-[4-[(3S)-1-(quinoxalin-6-ylmethyl)piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine
CID 95837918
N-pyrimidin-2-yl-4-[(3S)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 95814825
(4-chlorophenyl)-[3-[2-[[6-(methylamino)pyrimidin-4-yl]amino]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267193
4-[(3S)-pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-2-amine
CID 125019200
4-N-[4-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]pyrimidin-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 124945204
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
4-cyclopropyl-N-piperidin-3-ylpyrimidin-2-amine
CID 83836771
(5-fluoro-3-methyl-1H-indol-2-yl)-[3-[2-[[6-(methylamino)pyrimidin-4-yl]amino]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110089743

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine (CID 124957141) is 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine is CNc1cc(Nc2nccc([C@H]3CCCNC3)n2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
The InChIKey is FWSRUQQHRRBTPN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N7/c1-15-12-7-13(19-9-18-12)21-14-17-6-4-11(20-14)10-3-2-5-16-8-10/h4,6-7,9-10,16H,2-3,5,8H2,1H3,(H2,15,17,18,19,20,21)/t10-/m0/s1.
What are the key properties of 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine has a molecular weight of 285.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[4-[(3S)-piperidin-3-yl]pyrimidin-2-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 124957141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).